2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-phenylethynyl)benzoyl]amino]-4-methyl-valeric acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O3/c1-17(2)12-23(25(31)32)29-24(30)22-11-10-20(27-15-21-14-26-16-28-21)13-19(22)9-8-18-6-4-3-5-7-18/h3-7,10-11,13-14,16-17,23,27H,12,15H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)